N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane

C11H23N3O — CID 145380241

IUPACN-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane
SMILESCC.CC(C)/C(N)=N\C(=O)C1CCNC1
InChIInChI=1S/C9H17N3O.C2H6/c1-6(2)8(10)12-9(13)7-3-4-11-5-7;1-2/h6-7,11H,3-5H2,1-2H3,(H2,10,12,13);1-2H3
InChIKeyPUTMMMBHPMQBCB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds2

About N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane

N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane (PubChem CID 145380241) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane
PubChem CID145380241
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane
SMILESCC.CC(C)/C(N)=N\C(=O)C1CCNC1
InChIInChI=1S/C9H17N3O.C2H6/c1-6(2)8(10)12-9(13)7-3-4-11-5-7;1-2/h6-7,11H,3-5H2,1-2H3,(H2,10,12,13);1-2H3
InChIKeyPUTMMMBHPMQBCB-UHFFFAOYSA-N
XLogP1.16
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane?
The IUPAC name of N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane (CID 145380241) is N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane?
The canonical SMILES for N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane is CC.CC(C)/C(N)=N\C(=O)C1CCNC1.
What is the InChIKey of N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane?
The InChIKey is PUTMMMBHPMQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.C2H6/c1-6(2)8(10)12-9(13)7-3-4-11-5-7;1-2/h6-7,11H,3-5H2,1-2H3,(H2,10,12,13);1-2H3.
What are the key properties of N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane?
N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane has a molecular weight of 213.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane is sourced from PubChem (CID 145380241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).